diethyl 5-azanyl-3-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C(=O)OCC)N

InChI

InChI=1S/C22H25N3O6S2/c1-3-30-20(28)16-14(17(33-18(16)23)21(29)31-4-2)12-32-22-24-15-9-6-5-8-13(15)19(27)25(22)10-7-11-26/h5-6,8-9,26H,3-4,7,10-12,23H2,1-2H3